Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALDHAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKV--IAAYLGADEEELS
2OLJ Chain:A ((22-261))
--LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKA------------KDT---NL------------N--KVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKW--------------PREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLAN-EGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSK------
General information:
TITO was launched using:
RESULT:
Template:
2OLJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -194329 for 1977 contacts (-98.3/contact) +
2D Compatibility (PS) -25393 + (NN) -11130 + (LL) 3044
1D Compatibility (HY) -19200 + (ID) 3200
Total energy: -250208.0 ( -126.56 by residue)
QMean score : 0.453
(partial model without unconserved sides chains):
PDB file :
Tito_2OLJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OLJ-query.scw
PDB file :
Tito_Scwrl_2OLJ.pdb
: